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Substance Name: Cephabacin M6
RN: 99313-73-2
InChIKey: FGXDXPRKJSRQLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H79-N13-O18-S

Molecular Weight

  • 1146.2801
 
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Names and Synonyms

Results Name

  • Cephabacin M6

Synonym

  • Cephabacin M(sub 6)

Systematic Name

  • L-Valinamide, L-alanyl-L-seryl-L-ornithyl-L-valyl-L-ornithyl-N-(4-((7-((5-amino-5-carboxyl-1-oxopentyl)amino)-2-carboxy-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-3-en-3-yl)methoxy)-1-(2-amino-2-oxoethyl)-2-hydroxy-4-oxobutyl)-, (6R-(6-alpha,7-alpha,7(R*)))-

Registry Numbers

CAS Registry Number

  • 99313-73-2

System Generated Number

  • 0099313732

Structure Descriptors

InChI

1S/C47H79N13O18S/c1-21(2)34(57-38(67)26(11-8-14-48)53-40(69)29(18-61)56-37(66)23(5)50)41(70)54-27(12-9-15-49)39(68)58-35(22(3)4)42(71)55-28(16-31(52)63)30(62)17-33(65)78-19-24-20-79-46-47(77-6,45(76)60(46)36(24)44(74)75)59-32(64)13-7-10-25(51)43(72)73/h21-23,25-30,34-35,46,61-62H,7-20,48-51H2,1-6H3,(H2,52,63)(H,53,69)(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,68)(H,59,64)(H,72,73)(H,74,75)

InChIKey

FGXDXPRKJSRQLP-UHFFFAOYSA-N

Smiles

COC1(NC(=O)CCCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)COC(=O)CC(O)C(CC(=O)N)NC(=O)C(NC(=O)C(CCCN)NC(=O)C(NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C)N)C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1152, 1985.